CID 155820749

2460754-80-5

Structural Information

Molecular Formula
C7H9ClF2O4S
SMILES
COC(=O)C1(CC(C1)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H9ClF2O4S/c1-14-5(11)6(4-15(8,12)13)2-7(9,10)3-6/h2-4H2,1H3
InChIKey
KGYQHBHBBHOPPI-UHFFFAOYSA-N
Compound name
methyl 1-(chlorosulfonylmethyl)-3,3-difluorocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.98782 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.995096 139.9
[M+Na]+ 284.977038 147.6
[M-H]- 260.980544 141.2
[M+NH4]+ 280.021643 155.0
[M+K]+ 300.950978 147.7
[M+H-H2O]+ 244.985080 131.9
[M+HCOO]- 306.986021 148.8
[M+CH3COO]- 321.001671 190.7
[M+Na-2H]- 282.962486 144.1
[M]+ 261.98727142 152.2
[M]- 261.98836858 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.